Fabio Pietrucci
Fabio Pietrucci
assistant professor (maître de conférences, HDR), Sorbonne Université
Verified email at upmc.fr - Homepage
TitleCited byYear
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ...
Computer Physics Communications 180 (10), 1961-1972, 2009
10162009
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations
F Marinelli, F Pietrucci, A Laio, S Piana
PLoS computational biology 5 (8), e1000452, 2009
2592009
Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations
F Pietrucci, F Marinelli, P Carloni, A Laio
Journal of the American Chemical Society 131, 11811, 2009
1302009
A collective variable for the efficient exploration of protein beta-sheet structures: Application to SH3 and GB1
F Pietrucci, A Laio
Journal of Chemical Theory and Computation 5, 2197, 2009
1002009
Graph theory meets ab initio molecular dynamics: Atomic structures and transformations at the nanoscale
F Pietrucci, W Andreoni
Physical Review Letters 107 (8), 085504, 2011
882011
Metadynamics convergence law in a multidimensional system
Y Crespo, F Marinelli, F Pietrucci, A Laio
Physical Review E 81 (5), 055701, 2010
852010
Ab initio study of the vibrational properties of crystalline TeO 2: The α, β, and γ phases
M Ceriotti, F Pietrucci, M Bernasconi
Physical Review B 73 (10), 104304, 2006
842006
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO 2 from first principles
F Pietrucci, M Bernasconi, A Laio, M Parrinello
Physical Review B 78 (9), 094301, 2008
752008
Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail
F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio
Journal of the American Chemical Society 134 (8), 3886-3894, 2012
722012
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations
X Biarnés, F Pietrucci, F Marinelli, A Laio
Computer Physics Communications 183 (1), 203-211, 2012
722012
Ab initio study of yttria-stabilized cubic zirconia surfaces
G Ballabio, M Bernasconi, F Pietrucci, S Serra
Physical Review B 70 (7), 075417, 2004
602004
Exploring the universe of protein structures beyond the Protein Data Bank
P Cossio, A Trovato, F Pietrucci, F Seno, A Maritan, A Laio
PLoS computational biology 6 (11), e1000957, 2010
562010
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
F Pietrucci, AM Saitta
Proceedings of the National Academy of Sciences 112 (49), 15030-15035, 2015
542015
Formation of nucleobases in a Miller–Urey reducing atmosphere
M Ferus, F Pietrucci, AM Saitta, A Knížek, P Kubelík, O Ivanek, ...
Proceedings of the National Academy of Sciences 114 (17), 4306-4311, 2017
462017
Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-β
F Baftizadeh, F Pietrucci, X Biarnés, A Laio
Physical Review Letters 110 (16), 168103, 2013
462013
Protein folding and ligand-enzyme binding from bias-exchange metadynamics simulations
F Baftizadeh, P Cossio, F Pietrucci, A Laio
Current Physical Chemistry 2 (1), 79-91, 2012
462012
Strategies for the exploration of free energy landscapes: unity in diversity and challenges ahead
F Pietrucci
Reviews in Physics 2, 32-45, 2017
452017
The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2
CA Guido, F Pietrucci, GA Gallet, W Andreoni
Journal of Chemical Theory and Computation 9 (1), 28-32, 2012
442012
Optimizing the performance of bias-exchange metadynamics: Folding a 48-residue LysM domain using a coarse-grained model
P Cossio, F Marinelli, A Laio, F Pietrucci
The Journal of Physical Chemistry B 114 (9), 3259-3265, 2010
392010
Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water Molecules
GA Gallet, F Pietrucci, W Andreoni
Journal of Chemical Theory and Computation 8 (11), 4029-4039, 2012
332012
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